Cas no 88486-69-5 (Ethanone, 1-[4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-)
![Ethanone, 1-[4-(3,3,3-trifluoro-2-methylpropyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/88500/88486-69-5x500.png)
88486-69-5 structure
Product Name:Ethanone, 1-[4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-
CAS No:88486-69-5
MF:C12H13F3O
MW:230.226234197617
CID:630961
PubChem ID:13217282
Update Time:2025-04-19
Ethanone, 1-[4-(3,3,3-trifluoro-2-methylpropyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1-[4-(3,3,3-trifluoro-2-methylpropyl)phenyl]ethanone
- Ethanone, 1-[4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-
- 1-[4-(3,3,3-Trifluoro-2-methylpropyl)phenyl]ethan-1-one
- 88486-69-5
- DTXSID00529029
-
- Inchi： 1S/C12H13F3O/c1-8(12(13,14)15)7-10-3-5-11(6-4-10)9(2)16/h3-6,8H,7H2,1-2H3
- InChI Key： YNYVLRMNNUXFOW-UHFFFAOYSA-N
- SMILES： FC(C(C)CC1C=CC(C(C)=O)=CC=1)(F)F
Computed Properties
- Exact Mass: 230.09184952g/mol
- Monoisotopic Mass: 230.09184952g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 17.1?2
Ethanone, 1-[4-(3,3,3-trifluoro-2-methylpropyl)phenyl]- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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